| CAS Number | 1250819-56-7 |
| Catalog Number | AG01C8ZE |
| Chemical Name | 3-Bromo-4-(2-methoxyethoxy)aniline |
| IUPAC Name | 3-bromo-4-(2-methoxyethoxy)aniline |
| InChI | InChI=1S/C9H12BrNO2/c1-12-4-5-13-9-3-2-7(11)6-8(9)10/h2-3,6H,4-5,11H2,1H3 |
| InChI Key | LTGHWSDWKNFALE-UHFFFAOYSA-N |
| MDL Number | MFCD16085562 |
| Molecular Formula | C9H12BrNO2 |
| Molecular Weight | 246.1011 |
| SMILES | COCCOC1=C(Br)C=C(N)C=C1 |
| Synonyms | 3-bromo-4-(2-methoxyethoxy)aniline,
1250819-56-7,
ZINC43597616,
AKOS010987999,
A1-07508,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.104g/mol |
| Monoisotopic Mass | 245.005g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number